Glycoside
GD149055
Name:
5-hydroxy-6-methyl-9,10-dioxo-1-(2-phenylethenyl)-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C31H28O11Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 576.55 | Num_heavy_atoms: | 42 |
| TPSA: | 180.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD50218
Formula: C25H18O6
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(C)c(O)c1C2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 414.41 | Num_heavy_atoms: | 31 |
| TPSA: | 100.9 | NumAromaticRings: | 3 |
